N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide

C14H8ClF3N2O2S — CID 125467587

IUPACN-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3N2O2S/c15-10-5-6-12(9(7-10)8-19)20-23(21,22)13-4-2-1-3-11(13)14(16,17)18/h1-7,20H
InChIKeyBFINPWZIQLVHGK-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.03
Rot. Bonds3

About N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 125467587) has the molecular formula C14H8ClF3N2O2S and a molecular weight of 360.74 g/mol. Its IUPAC name is N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID125467587
Molecular FormulaC14H8ClF3N2O2S
Molecular Weight360.74 g/mol
Exact Mass359.99
IUPAC NameN-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3N2O2S/c15-10-5-6-12(9(7-10)8-19)20-23(21,22)13-4-2-1-3-11(13)14(16,17)18/h1-7,20H
InChIKeyBFINPWZIQLVHGK-UHFFFAOYSA-N
XLogP4.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 125467587) is N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide is N#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BFINPWZIQLVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2S/c15-10-5-6-12(9(7-10)8-19)20-23(21,22)13-4-2-1-3-11(13)14(16,17)18/h1-7,20H.
What are the key properties of N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 360.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 125467587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).